UCSF

ZINC29472827

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2009 24 Yes

Popular Name: 4'-(9-Acridinylamino)acetophenone; Acetophenone, 4'-(9-acridinylamino)-; BRN 0420698; LS-13350 4'-(9-Acridinylamino)acetophenon…

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Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 5.59 10.53 -34.67 2 3 1 43 313.38 3 ↓
Hi High (pH 8-9.5) 5.59 10.16 -11.72 1 3 0 42 312.372 3 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z80301-1-O N9 (cluster #1 Of 2), Other Other 800 0.36 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z80301 Z80301 N9 800 0.36 Functional ≤ 10μM

Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.